tert-butyl 4-[2-(2-chlorophenyl)-4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(2-chlorophenyl)-4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(2-chlorophenyl)-4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(2-chlorophenyl)-4-[[(1-cyclopentyl-3-pyrrolidinyl)methylamino]-oxomethyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(2-chlorophenyl)-4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(2-chlorophenyl)-4-[(1-cyclopentylpyrrolidin-3-yl)methylcarbamoyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H42ClN5O3 MolecularWeight: 556.13918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3Cl)C(=O)NCC4CCN(C4)C5CCCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=CC=C3Cl)C(=O)NCC4CCN(C4)C5CCCC5

InChI

InChI=1S/C30H42ClN5O3/c1-30(2,3)39-29(38)34-16-13-22(14-17-34)27-24(19-33-36(27)26-11-7-6-10-25(26)31)28(37)32-18-21-12-15-35(20-21)23-8-4-5-9-23/h6-7,10-11,19,21-23H,4-5,8-9,12-18,20H2,1-3H3,(H,32,37)